PRIMS: NNSA Center for Prediction of Reliability, Integrity and Survivability of Microsystems, is a university center funded by the Department of Energy's National Nuclear Security Administration (NNSA) under their Advanced Simulation and Computing (ASC) Predictive Science Academic Alliance Program (PSAAP). PRISM is centered at Purdue University, with the University of Illinois, Urbana-Champaign and University of New Mexico as partners.
NNSA Center for Prediction of Reliability, Integrity and Survivability of Microsystems (PRISM)

The goal of this short course is to provide an introduction to the theory and algorithms behind MD simulations, describe some of the most exciting recent developments in the field and exemplify with a few applications applications. The series also includes a tutorial on the nanoMATERIALS simulation tool, an online MD simulation tool available at the nanoHUB. This provides users with a hands-on experience with MD simulations and enables further exploration of some of the concepts described in the lectures.

The goal of this workshop is to provide training in the area of high performance scientific computing for graduate students and researchers interested in scientific computing. The School will address current hardware and software technologies and trends for parallel computing and their application to solve scientific problems. It will also include lab sessions where participants will get hands-on experience with parallel computing including the use of performance evaluation and debugging tools on state of the art simulation codes.

Objectives
This by-invitation-only workshop will focus on recent progress and current challenges in the area of experimentally validated, predictive modeling of mechanical properties of nano- or micro-engineered materials. Areas of interest include micro- and nano-electromechanical devices...

The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive understanding of how materials work at molecular scales. Image to the right shows plastic deformation of...

What is MD?
Molecular dynamics involves the numerical solution of the classical equations of motion (F=ma) for every single atom in material. The result is a very detailed description of the temporal evolution of the material: we obtain the position, velocity and force of every atom as a...

Ab initio electronic structure simulation tools
ABINIT
:ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory, using...

The main goal of this learning module is to help students learn about the correlation between atomic structure and electronic properties, and help them develop a more intuitive understanding of the origin of electronic bands in a material via hand-on exploration using online electronic structure...